6-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylhexanamide

C14H21ClN2OS — CID 54869456

IUPAC6-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylhexanamide
SMILESC=CCN(Cc1ccc(Cl)s1)C(=O)CCCCCN
InChIInChI=1S/C14H21ClN2OS/c1-2-10-17(11-12-7-8-13(15)19-12)14(18)6-4-3-5-9-16/h2,7-8H,1,3-6,9-11,16H2
InChIKeyYIPUGGCXIIJWEY-UHFFFAOYSA-N
MW300.86 g/mol
LogP3.44
Rot. Bonds9

About 6-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylhexanamide

6-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylhexanamide (PubChem CID 54869456) has the molecular formula C14H21ClN2OS and a molecular weight of 300.86 g/mol. Its IUPAC name is 6-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylhexanamide.

Molecular Properties

Compound Name6-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylhexanamide
PubChem CID54869456
Molecular FormulaC14H21ClN2OS
Molecular Weight300.86 g/mol
Exact Mass300.11
IUPAC Name6-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylhexanamide
SMILESC=CCN(Cc1ccc(Cl)s1)C(=O)CCCCCN
InChIInChI=1S/C14H21ClN2OS/c1-2-10-17(11-12-7-8-13(15)19-12)14(18)6-4-3-5-9-16/h2,7-8H,1,3-6,9-11,16H2
InChIKeyYIPUGGCXIIJWEY-UHFFFAOYSA-N
XLogP3.44
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.86
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(5-chlorothiophen-2-yl)methyl]-5-hydroxy-N-prop-2-enylpentanamide
CID 79198711
2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylacetamide
CID 60718665
N-[(5-chlorothiophen-2-yl)methyl]-4-(methylamino)-N-prop-2-enylbutanamide
CID 54869490
2-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylacetamide
CID 63681418
3-[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]-3-oxopropanoic acid
CID 55049541
4-amino-N-[(5-chlorothiophen-2-yl)methyl]-3-methyl-N-prop-2-enylbutanamide
CID 81075391
N-[(5-chlorothiophen-2-yl)methyl]-2-(methylamino)-N-prop-2-enylacetamide;hydrochloride
CID 119688617
N-[(5-chlorothiophen-2-yl)methyl]-2,2-difluoro-N-prop-2-enylacetamide
CID 103601269
N-[(5-chlorothiophen-2-yl)methyl]-2,2-dimethyl-N-prop-2-enylpropanamide
CID 60646090
(2R)-2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylpropanamide;hydrochloride
CID 119270779
7-amino-N-[(2-fluorophenyl)methyl]-N-prop-2-enylheptanamide
CID 119746541
5-[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]-3,3-dimethyl-5-oxopentanoic acid
CID 62934239

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylhexanamide?
The IUPAC name of 6-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylhexanamide (CID 54869456) is 6-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylhexanamide.
What is the SMILES notation for 6-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylhexanamide?
The canonical SMILES for 6-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylhexanamide is C=CCN(Cc1ccc(Cl)s1)C(=O)CCCCCN.
What is the InChIKey of 6-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylhexanamide?
The InChIKey is YIPUGGCXIIJWEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2OS/c1-2-10-17(11-12-7-8-13(15)19-12)14(18)6-4-3-5-9-16/h2,7-8H,1,3-6,9-11,16H2.
What are the key properties of 6-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylhexanamide?
6-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylhexanamide has a molecular weight of 300.86 g/mol, XLogP of 3.44, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylhexanamide is sourced from PubChem (CID 54869456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).