sulfanyl N,N-bis(2-methylpropyl)carbamate

C9H19NO2S — CID 174893639

IUPACsulfanyl N,N-bis(2-methylpropyl)carbamate
SMILESCC(C)CN(CC(C)C)C(=O)OS
InChIInChI=1S/C9H19NO2S/c1-7(2)5-10(6-8(3)4)9(11)12-13/h7-8,13H,5-6H2,1-4H3
InChIKeyHBSAQQBLXJGCPC-UHFFFAOYSA-N
MW205.32 g/mol
LogP2.58
Rot. Bonds4

About sulfanyl N,N-bis(2-methylpropyl)carbamate

sulfanyl N,N-bis(2-methylpropyl)carbamate (PubChem CID 174893639) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is sulfanyl N,N-bis(2-methylpropyl)carbamate.

Molecular Properties

Compound Namesulfanyl N,N-bis(2-methylpropyl)carbamate
PubChem CID174893639
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC Namesulfanyl N,N-bis(2-methylpropyl)carbamate
SMILESCC(C)CN(CC(C)C)C(=O)OS
InChIInChI=1S/C9H19NO2S/c1-7(2)5-10(6-8(3)4)9(11)12-13/h7-8,13H,5-6H2,1-4H3
InChIKeyHBSAQQBLXJGCPC-UHFFFAOYSA-N
XLogP2.58
TPSA29.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.32
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N,N',N'-tetrakis(2-methylpropyl)oxamide
CID 4523531
2-hydroxyethyl(2-methylpropyl)carbamic acid
CID 174562552
S-methyl N,N-bis(2-methylpropyl)carbamothioate
CID 20780776
N,N-bis(2-methylpropyl)-2-oxopropanamide
CID 10910517
bis(2-methylpropyl)carbamoyl-oxophosphanium
CID 149152726
N-(aminomethyl)-3-methyl-N-(2-methylpropyl)butanamide
CID 144977230
2-amino-N,N-bis(2-methylpropyl)propanamide
CID 43588746
(2R)-2-chloro-N,N-bis(2-methylpropyl)propanamide
CID 92660582
3-methyl-1,1-bis(2-methylpropyl)urea
CID 15539164
methyl N-butyl-N-(2-methylpropyl)carbamate
CID 170640282
tert-butyl N-[(2S)-2-hydroxy-3-(hydroxyamino)-3-oxopropyl]-N-(2-methylpropyl)carbamate
CID 21309176
N-ethyl-N-(2-methylpropyl)propanamide
CID 54345595

Frequently Asked Questions

What is the IUPAC name of sulfanyl N,N-bis(2-methylpropyl)carbamate?
The IUPAC name of sulfanyl N,N-bis(2-methylpropyl)carbamate (CID 174893639) is sulfanyl N,N-bis(2-methylpropyl)carbamate.
What is the SMILES notation for sulfanyl N,N-bis(2-methylpropyl)carbamate?
The canonical SMILES for sulfanyl N,N-bis(2-methylpropyl)carbamate is CC(C)CN(CC(C)C)C(=O)OS.
What is the InChIKey of sulfanyl N,N-bis(2-methylpropyl)carbamate?
The InChIKey is HBSAQQBLXJGCPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S/c1-7(2)5-10(6-8(3)4)9(11)12-13/h7-8,13H,5-6H2,1-4H3.
What are the key properties of sulfanyl N,N-bis(2-methylpropyl)carbamate?
sulfanyl N,N-bis(2-methylpropyl)carbamate has a molecular weight of 205.32 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sulfanyl N,N-bis(2-methylpropyl)carbamate is sourced from PubChem (CID 174893639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).