N-(1-octylsulfanyldecyl)carbamate

C19H38NO2S- — CID 18968625

IUPACN-(1-octylsulfanyldecyl)carbamate
SMILESCCCCCCCCCC(NC(=O)[O-])SCCCCCCCC
InChIInChI=1S/C19H39NO2S/c1-3-5-7-9-11-12-14-16-18(20-19(21)22)23-17-15-13-10-8-6-4-2/h18,20H,3-17H2,1-2H3,(H,21,22)/p-1
InChIKeyMNSJBJHWGHXPBZ-UHFFFAOYSA-M
MW344.59 g/mol
LogP5.48
Rot. Bonds17

About N-(1-octylsulfanyldecyl)carbamate

N-(1-octylsulfanyldecyl)carbamate (PubChem CID 18968625) has the molecular formula C19H38NO2S- and a molecular weight of 344.59 g/mol. Its IUPAC name is N-(1-octylsulfanyldecyl)carbamate.

Molecular Properties

Compound NameN-(1-octylsulfanyldecyl)carbamate
PubChem CID18968625
Molecular FormulaC19H38NO2S-
Molecular Weight344.59 g/mol
Exact Mass344.26
IUPAC NameN-(1-octylsulfanyldecyl)carbamate
SMILESCCCCCCCCCC(NC(=O)[O-])SCCCCCCCC
InChIInChI=1S/C19H39NO2S/c1-3-5-7-9-11-12-14-16-18(20-19(21)22)23-17-15-13-10-8-6-4-2/h18,20H,3-17H2,1-2H3,(H,21,22)/p-1
InChIKeyMNSJBJHWGHXPBZ-UHFFFAOYSA-M
XLogP5.48
TPSA52.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.59
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-octylsulfanyldecylcarbamic acid
CID 18968626
hexane-1,1-diol carbonate
CID 22286932
2-hexylsulfanyldecanoyl chloride
CID 19027841
2,3-dioctadecylbutanedioate
CID 21183582
diazanium;2-hexadecylpropanedioate
CID 156776490
2-hydroxydocosanoate
CID 22361325
disodium;2-undecylpropanedioate
CID 139411931
2-butylnonanoate
CID 20977072
(2S)-2-butyloctanoate
CID 86308644
(2S)-2-hydroxyoctadecanoate
CID 21145041
dilithium;2-decylpropanedioate
CID 139411609
disilver;2-nonylpropanedioate
CID 22008246

Frequently Asked Questions

What is the IUPAC name of N-(1-octylsulfanyldecyl)carbamate?
The IUPAC name of N-(1-octylsulfanyldecyl)carbamate (CID 18968625) is N-(1-octylsulfanyldecyl)carbamate.
What is the SMILES notation for N-(1-octylsulfanyldecyl)carbamate?
The canonical SMILES for N-(1-octylsulfanyldecyl)carbamate is CCCCCCCCCC(NC(=O)[O-])SCCCCCCCC.
What is the InChIKey of N-(1-octylsulfanyldecyl)carbamate?
The InChIKey is MNSJBJHWGHXPBZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H39NO2S/c1-3-5-7-9-11-12-14-16-18(20-19(21)22)23-17-15-13-10-8-6-4-2/h18,20H,3-17H2,1-2H3,(H,21,22)/p-1.
What are the key properties of N-(1-octylsulfanyldecyl)carbamate?
N-(1-octylsulfanyldecyl)carbamate has a molecular weight of 344.59 g/mol, XLogP of 5.48, 17 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-octylsulfanyldecyl)carbamate is sourced from PubChem (CID 18968625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).