7-amino-N-[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]heptanamide;hydrochloride

C19H30ClN3O2S — CID 119761404

IUPAC7-amino-N-[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]heptanamide;hydrochloride
SMILESCc1cc(C(=O)N2CCSCC2)ccc1NC(=O)CCCCCCN.Cl
InChIInChI=1S/C19H29N3O2S.ClH/c1-15-14-16(19(24)22-10-12-25-13-11-22)7-8-17(15)21-18(23)6-4-2-3-5-9-20;/h7-8,14H,2-6,9-13,20H2,1H3,(H,21,23);1H
InChIKeyUHAKQYDSKUXDOU-UHFFFAOYSA-N
MW399.99 g/mol
LogP3.45
Rot. Bonds8

About 7-amino-N-[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]heptanamide;hydrochloride

7-amino-N-[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]heptanamide;hydrochloride (PubChem CID 119761404) has the molecular formula C19H30ClN3O2S and a molecular weight of 399.99 g/mol. Its IUPAC name is 7-amino-N-[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]heptanamide;hydrochloride.

Molecular Properties

Compound Name7-amino-N-[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]heptanamide;hydrochloride
PubChem CID119761404
Molecular FormulaC19H30ClN3O2S
Molecular Weight399.99 g/mol
Exact Mass399.17
IUPAC Name7-amino-N-[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]heptanamide;hydrochloride
SMILESCc1cc(C(=O)N2CCSCC2)ccc1NC(=O)CCCCCCN.Cl
InChIInChI=1S/C19H29N3O2S.ClH/c1-15-14-16(19(24)22-10-12-25-13-11-22)7-8-17(15)21-18(23)6-4-2-3-5-9-20;/h7-8,14H,2-6,9-13,20H2,1H3,(H,21,23);1H
InChIKeyUHAKQYDSKUXDOU-UHFFFAOYSA-N
XLogP3.45
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.99
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(methylamino)-N-[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]acetamide;hydrochloride
CID 119761416
4-amino-3-methoxy-N-[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]butanamide
CID 120590934
(4-hydrazinyl-3-methylphenyl)-thiomorpholin-4-ylmethanone
CID 63211977
N-[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]-2-(trifluoromethylsulfanyl)acetamide
CID 51132350
7-amino-N-(4-fluoro-2-methylphenyl)heptanamide;hydrochloride
CID 119679598
7-amino-N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]heptanamide;dihydrochloride
CID 119866731
2-chloro-N-[2-methyl-5-(thiomorpholine-4-carbonyl)phenyl]acetamide
CID 146085920
[3-methyl-4-(prop-2-ynylamino)phenyl]-thiomorpholin-4-ylmethanone
CID 71858060
2-[[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120975715
3-amino-N-[2-methyl-3-(thiomorpholine-4-carbonyl)phenyl]propanamide;hydrochloride
CID 119310619
7-amino-N-(2-methylphenyl)heptanamide;hydrochloride
CID 119670447
N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]-3-pyridin-4-ylpropanamide
CID 131936206

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]heptanamide;hydrochloride?
The IUPAC name of 7-amino-N-[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]heptanamide;hydrochloride (CID 119761404) is 7-amino-N-[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]heptanamide;hydrochloride.
What is the SMILES notation for 7-amino-N-[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]heptanamide;hydrochloride?
The canonical SMILES for 7-amino-N-[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]heptanamide;hydrochloride is Cc1cc(C(=O)N2CCSCC2)ccc1NC(=O)CCCCCCN.Cl.
What is the InChIKey of 7-amino-N-[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]heptanamide;hydrochloride?
The InChIKey is UHAKQYDSKUXDOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2S.ClH/c1-15-14-16(19(24)22-10-12-25-13-11-22)7-8-17(15)21-18(23)6-4-2-3-5-9-20;/h7-8,14H,2-6,9-13,20H2,1H3,(H,21,23);1H.
What are the key properties of 7-amino-N-[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]heptanamide;hydrochloride?
7-amino-N-[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]heptanamide;hydrochloride has a molecular weight of 399.99 g/mol, XLogP of 3.45, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]heptanamide;hydrochloride is sourced from PubChem (CID 119761404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).