1-amino-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]cyclopropane-1-carboxamide;hydrochloride

C16H24ClN3O4S — CID 119697559

IUPAC1-amino-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]cyclopropane-1-carboxamide;hydrochloride
SMILESCl.NC1(C(=O)NCc2ccccc2CS(=O)(=O)N2CCOCC2)CC1
InChIInChI=1S/C16H23N3O4S.ClH/c17-16(5-6-16)15(20)18-11-13-3-1-2-4-14(13)12-24(21,22)19-7-9-23-10-8-19;/h1-4H,5-12,17H2,(H,18,20);1H
InChIKeyIDXUQESFADDIFD-UHFFFAOYSA-N
MW389.91 g/mol
LogP0.38
Rot. Bonds6

About 1-amino-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]cyclopropane-1-carboxamide;hydrochloride

1-amino-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]cyclopropane-1-carboxamide;hydrochloride (PubChem CID 119697559) has the molecular formula C16H24ClN3O4S and a molecular weight of 389.91 g/mol. Its IUPAC name is 1-amino-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]cyclopropane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-amino-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]cyclopropane-1-carboxamide;hydrochloride
PubChem CID119697559
Molecular FormulaC16H24ClN3O4S
Molecular Weight389.91 g/mol
Exact Mass389.12
IUPAC Name1-amino-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]cyclopropane-1-carboxamide;hydrochloride
SMILESCl.NC1(C(=O)NCc2ccccc2CS(=O)(=O)N2CCOCC2)CC1
InChIInChI=1S/C16H23N3O4S.ClH/c17-16(5-6-16)15(20)18-11-13-3-1-2-4-14(13)12-24(21,22)19-7-9-23-10-8-19;/h1-4H,5-12,17H2,(H,18,20);1H
InChIKeyIDXUQESFADDIFD-UHFFFAOYSA-N
XLogP0.38
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.91
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-amino-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]cyclopentane-1-carboxamide
CID 119275552
(2R)-2-amino-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]propanamide
CID 119275554
2-(methylamino)-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]acetamide;hydrochloride
CID 119697573
2-methyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]benzamide
CID 24541772
2-methyl-3-(methylamino)-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]propanamide
CID 119697580
2,6-dichloro-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]benzamide
CID 112803399
3-methyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]furan-2-carboxamide
CID 17408204
N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]piperidine-4-carboxamide
CID 119275548
5-chloro-2-hydroxy-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]benzamide
CID 18120484
N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 24541809
3-methyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-3-phenylbutanamide
CID 60596872
N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-4-pyrrol-1-ylbenzamide
CID 24541820

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]cyclopropane-1-carboxamide;hydrochloride?
The IUPAC name of 1-amino-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]cyclopropane-1-carboxamide;hydrochloride (CID 119697559) is 1-amino-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]cyclopropane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-amino-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]cyclopropane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-amino-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]cyclopropane-1-carboxamide;hydrochloride is Cl.NC1(C(=O)NCc2ccccc2CS(=O)(=O)N2CCOCC2)CC1.
What is the InChIKey of 1-amino-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]cyclopropane-1-carboxamide;hydrochloride?
The InChIKey is IDXUQESFADDIFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O4S.ClH/c17-16(5-6-16)15(20)18-11-13-3-1-2-4-14(13)12-24(21,22)19-7-9-23-10-8-19;/h1-4H,5-12,17H2,(H,18,20);1H.
What are the key properties of 1-amino-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]cyclopropane-1-carboxamide;hydrochloride?
1-amino-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]cyclopropane-1-carboxamide;hydrochloride has a molecular weight of 389.91 g/mol, XLogP of 0.38, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]cyclopropane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119697559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).