1-amino-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]cyclopentane-1-carboxamide;dihydrochloride

C15H29Cl2N3O2S — CID 119862780

IUPAC1-amino-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]cyclopentane-1-carboxamide;dihydrochloride
SMILESCl.Cl.NC1(C(=O)NCC2(N3CCOCC3)CCSC2)CCCC1
InChIInChI=1S/C15H27N3O2S.2ClH/c16-15(3-1-2-4-15)13(19)17-11-14(5-10-21-12-14)18-6-8-20-9-7-18;;/h1-12,16H2,(H,17,19);2*1H
InChIKeyLXHFASCEIZETNT-UHFFFAOYSA-N
MW386.39 g/mol
LogP1.43
Rot. Bonds4

About 1-amino-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]cyclopentane-1-carboxamide;dihydrochloride

1-amino-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]cyclopentane-1-carboxamide;dihydrochloride (PubChem CID 119862780) has the molecular formula C15H29Cl2N3O2S and a molecular weight of 386.39 g/mol. Its IUPAC name is 1-amino-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]cyclopentane-1-carboxamide;dihydrochloride.

Molecular Properties

Compound Name1-amino-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]cyclopentane-1-carboxamide;dihydrochloride
PubChem CID119862780
Molecular FormulaC15H29Cl2N3O2S
Molecular Weight386.39 g/mol
Exact Mass385.14
IUPAC Name1-amino-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]cyclopentane-1-carboxamide;dihydrochloride
SMILESCl.Cl.NC1(C(=O)NCC2(N3CCOCC3)CCSC2)CCCC1
InChIInChI=1S/C15H27N3O2S.2ClH/c16-15(3-1-2-4-15)13(19)17-11-14(5-10-21-12-14)18-6-8-20-9-7-18;;/h1-12,16H2,(H,17,19);2*1H
InChIKeyLXHFASCEIZETNT-UHFFFAOYSA-N
XLogP1.43
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.39
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-2-methyl-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]propanamide
CID 119862763
3-amino-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]butanamide;dihydrochloride
CID 119862806
1-amino-N-[(4-piperidin-1-yloxan-4-yl)methyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119886673
2-(cyclopropylmethylamino)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]acetamide
CID 119862791
2-(2-hydroxyphenyl)-N-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]acetamide
CID 124727496
4-amino-3-methoxy-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]butanamide
CID 120595904
2-amino-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-3-phenylpropanamide;dihydrochloride
CID 119862768
(3-morpholin-4-ylthiolan-3-yl)methanamine;hydrochloride
CID 42948044
N-[[(3S)-3-hydroxythiolan-3-yl]methyl]-2-(1-morpholin-4-ylcyclopentyl)acetamide
CID 124508288
2-amino-2-(4-methylphenyl)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]acetamide;dihydrochloride
CID 120669899
N,N-dimethyl-1-[[[N'-methyl-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide
CID 111571579
1-(4-methoxyphenyl)-3-[(3-morpholin-4-ylthiolan-3-yl)methyl]urea
CID 42960503

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]cyclopentane-1-carboxamide;dihydrochloride?
The IUPAC name of 1-amino-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]cyclopentane-1-carboxamide;dihydrochloride (CID 119862780) is 1-amino-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]cyclopentane-1-carboxamide;dihydrochloride.
What is the SMILES notation for 1-amino-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]cyclopentane-1-carboxamide;dihydrochloride?
The canonical SMILES for 1-amino-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]cyclopentane-1-carboxamide;dihydrochloride is Cl.Cl.NC1(C(=O)NCC2(N3CCOCC3)CCSC2)CCCC1.
What is the InChIKey of 1-amino-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]cyclopentane-1-carboxamide;dihydrochloride?
The InChIKey is LXHFASCEIZETNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2S.2ClH/c16-15(3-1-2-4-15)13(19)17-11-14(5-10-21-12-14)18-6-8-20-9-7-18;;/h1-12,16H2,(H,17,19);2*1H.
What are the key properties of 1-amino-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]cyclopentane-1-carboxamide;dihydrochloride?
1-amino-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]cyclopentane-1-carboxamide;dihydrochloride has a molecular weight of 386.39 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]cyclopentane-1-carboxamide;dihydrochloride is sourced from PubChem (CID 119862780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).