N-[3-(2-methylprop-2-enoylamino)propyl]-10-sulfanyldecanamide

C17H32N2O2S — CID 118143798

IUPACN-[3-(2-methylprop-2-enoylamino)propyl]-10-sulfanyldecanamide
SMILESC=C(C)C(=O)NCCCNC(=O)CCCCCCCCCS
InChIInChI=1S/C17H32N2O2S/c1-15(2)17(21)19-13-10-12-18-16(20)11-8-6-4-3-5-7-9-14-22/h22H,1,3-14H2,2H3,(H,18,20)(H,19,21)
InChIKeyQKFWJGILNXQATP-UHFFFAOYSA-N
MW328.52 g/mol
LogP3.24
Rot. Bonds14

About N-[3-(2-methylprop-2-enoylamino)propyl]-10-sulfanyldecanamide

N-[3-(2-methylprop-2-enoylamino)propyl]-10-sulfanyldecanamide (PubChem CID 118143798) has the molecular formula C17H32N2O2S and a molecular weight of 328.52 g/mol. Its IUPAC name is N-[3-(2-methylprop-2-enoylamino)propyl]-10-sulfanyldecanamide.

Molecular Properties

Compound NameN-[3-(2-methylprop-2-enoylamino)propyl]-10-sulfanyldecanamide
PubChem CID118143798
Molecular FormulaC17H32N2O2S
Molecular Weight328.52 g/mol
Exact Mass328.22
IUPAC NameN-[3-(2-methylprop-2-enoylamino)propyl]-10-sulfanyldecanamide
SMILESC=C(C)C(=O)NCCCNC(=O)CCCCCCCCCS
InChIInChI=1S/C17H32N2O2S/c1-15(2)17(21)19-13-10-12-18-16(20)11-8-6-4-3-5-7-9-14-22/h22H,1,3-14H2,2H3,(H,18,20)(H,19,21)
InChIKeyQKFWJGILNXQATP-UHFFFAOYSA-N
XLogP3.24
TPSA58.20 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.52
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

7-[3-(2-methylprop-2-enoylamino)propylamino]-7-oxoheptanoic acid
CID 118143870
N-[3-(2-methylprop-2-enoylamino)propyl]hexanamide
CID 22292211
N-[3-(2-methylprop-2-enoylamino)propyl]hexacosa-11,13-diynamide
CID 58297943
N-[3-(prop-2-enoylamino)propyl]-6-sulfanylhexanamide
CID 118143471
N-(5-sulfanylpentyl)hexanamide
CID 178061899
N-hexyl-8-sulfanyloctanamide
CID 101094845
N-pentyl-11-sulfanylundecanamide
CID 102272005
2-methyl-N-[3-(octadecylamino)-3-oxopropyl]prop-2-enamide
CID 176871830
7-(2-methylprop-2-enoylamino)-N-propan-2-ylheptanamide
CID 88906929
6-amino-N-(4-sulfanylbutyl)hexanamide
CID 162689311
9-(dithiolan-3-yl)-N-[3-(2-methylprop-2-enoylamino)propyl]nonanamide
CID 118143890
4-(dimethylamino)-N-(5-sulfanylpentyl)butanamide
CID 23187588

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methylprop-2-enoylamino)propyl]-10-sulfanyldecanamide?
The IUPAC name of N-[3-(2-methylprop-2-enoylamino)propyl]-10-sulfanyldecanamide (CID 118143798) is N-[3-(2-methylprop-2-enoylamino)propyl]-10-sulfanyldecanamide.
What is the SMILES notation for N-[3-(2-methylprop-2-enoylamino)propyl]-10-sulfanyldecanamide?
The canonical SMILES for N-[3-(2-methylprop-2-enoylamino)propyl]-10-sulfanyldecanamide is C=C(C)C(=O)NCCCNC(=O)CCCCCCCCCS.
What is the InChIKey of N-[3-(2-methylprop-2-enoylamino)propyl]-10-sulfanyldecanamide?
The InChIKey is QKFWJGILNXQATP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2S/c1-15(2)17(21)19-13-10-12-18-16(20)11-8-6-4-3-5-7-9-14-22/h22H,1,3-14H2,2H3,(H,18,20)(H,19,21).
What are the key properties of N-[3-(2-methylprop-2-enoylamino)propyl]-10-sulfanyldecanamide?
N-[3-(2-methylprop-2-enoylamino)propyl]-10-sulfanyldecanamide has a molecular weight of 328.52 g/mol, XLogP of 3.24, 14 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methylprop-2-enoylamino)propyl]-10-sulfanyldecanamide is sourced from PubChem (CID 118143798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).