S-methyl N,N-bis(2-methylpropyl)carbamothioate

C10H21NOS — CID 20780776

IUPACS-methyl N,N-bis(2-methylpropyl)carbamothioate
SMILESCSC(=O)N(CC(C)C)CC(C)C
InChIInChI=1S/C10H21NOS/c1-8(2)6-11(7-9(3)4)10(12)13-5/h8-9H,6-7H2,1-5H3
InChIKeyUIWYKODGYXDAAF-UHFFFAOYSA-N
MW203.35 g/mol
LogP3.08
Rot. Bonds4

About S-methyl N,N-bis(2-methylpropyl)carbamothioate

S-methyl N,N-bis(2-methylpropyl)carbamothioate (PubChem CID 20780776) has the molecular formula C10H21NOS and a molecular weight of 203.35 g/mol. Its IUPAC name is S-methyl N,N-bis(2-methylpropyl)carbamothioate.

Molecular Properties

Compound NameS-methyl N,N-bis(2-methylpropyl)carbamothioate
PubChem CID20780776
Molecular FormulaC10H21NOS
Molecular Weight203.35 g/mol
Exact Mass203.13
IUPAC NameS-methyl N,N-bis(2-methylpropyl)carbamothioate
SMILESCSC(=O)N(CC(C)C)CC(C)C
InChIInChI=1S/C10H21NOS/c1-8(2)6-11(7-9(3)4)10(12)13-5/h8-9H,6-7H2,1-5H3
InChIKeyUIWYKODGYXDAAF-UHFFFAOYSA-N
XLogP3.08
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.35
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N,N',N'-tetrakis(2-methylpropyl)oxamide
CID 4523531
S-ethyl N,N-bis(2-methylpropyl)carbamothioate;manganese
CID 88818458
S-ethyl N,N-bis(2-methylpropyl)carbamothioate;titanium
CID 87157632
ethene;S-ethyl N,N-bis(2-methylpropyl)carbamothioate
CID 87296608
magnesium;S-ethyl N,N-bis(2-methylpropyl)carbamothioate;hydride;titanium
CID 173386535
N,N-bis(2-methylpropyl)-2-oxopropanamide
CID 10910517
bis(2-methylpropyl)carbamoyl-oxophosphanium
CID 149152726
1-ethyl-3-methyl-1-(2-methylpropyl)urea
CID 59108349
(2R)-2-chloro-N,N-bis(2-methylpropyl)propanamide
CID 92660582
3-methyl-1,1-bis(2-methylpropyl)urea
CID 15539164
2-amino-N,N-bis(2-methylpropyl)propanamide
CID 43588746
2-[(2-methyl-3-methylsulfanylpropanoyl)-(2-methylpropyl)amino]acetic acid
CID 115730558

Frequently Asked Questions

What is the IUPAC name of S-methyl N,N-bis(2-methylpropyl)carbamothioate?
The IUPAC name of S-methyl N,N-bis(2-methylpropyl)carbamothioate (CID 20780776) is S-methyl N,N-bis(2-methylpropyl)carbamothioate.
What is the SMILES notation for S-methyl N,N-bis(2-methylpropyl)carbamothioate?
The canonical SMILES for S-methyl N,N-bis(2-methylpropyl)carbamothioate is CSC(=O)N(CC(C)C)CC(C)C.
What is the InChIKey of S-methyl N,N-bis(2-methylpropyl)carbamothioate?
The InChIKey is UIWYKODGYXDAAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NOS/c1-8(2)6-11(7-9(3)4)10(12)13-5/h8-9H,6-7H2,1-5H3.
What are the key properties of S-methyl N,N-bis(2-methylpropyl)carbamothioate?
S-methyl N,N-bis(2-methylpropyl)carbamothioate has a molecular weight of 203.35 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for S-methyl N,N-bis(2-methylpropyl)carbamothioate is sourced from PubChem (CID 20780776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).