1,2-dimethyl-1-sulfanylthietan-2-amine

C5H13NS2 — CID 135231058

IUPAC1,2-dimethyl-1-sulfanylthietan-2-amine
SMILESCC1(N)CCS1(C)S
InChIInChI=1S/C5H13NS2/c1-5(6)3-4-8(5,2)7/h7H,3-4,6H2,1-2H3
InChIKeyJDOXDTXQZULHFQ-UHFFFAOYSA-N
MW151.30 g/mol
LogP1.34
Rot. Bonds

About 1,2-dimethyl-1-sulfanylthietan-2-amine

1,2-dimethyl-1-sulfanylthietan-2-amine (PubChem CID 135231058) has the molecular formula C5H13NS2 and a molecular weight of 151.30 g/mol. Its IUPAC name is 1,2-dimethyl-1-sulfanylthietan-2-amine.

Molecular Properties

Compound Name1,2-dimethyl-1-sulfanylthietan-2-amine
PubChem CID135231058
Molecular FormulaC5H13NS2
Molecular Weight151.30 g/mol
Exact Mass151.05
IUPAC Name1,2-dimethyl-1-sulfanylthietan-2-amine
SMILESCC1(N)CCS1(C)S
InChIInChI=1S/C5H13NS2/c1-5(6)3-4-8(5,2)7/h7H,3-4,6H2,1-2H3
InChIKeyJDOXDTXQZULHFQ-UHFFFAOYSA-N
XLogP1.34
TPSA26.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.30
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-propylsulfanylbutan-2-yl)thiohydroxylamine
CID 87075304
2-Ethylsulfanylpropan-2-amine
CID 87997679
2-Propan-2-ylsulfanylpropan-2-amine
CID 117032548
2-Methylthietan-1-ium-2-amine
CID 164043642
2-(2-Aminobutan-2-ylsulfanyl)ethanethiol
CID 166668689
(2S,3R)-2,3-dimethyl-1,4-dithian-2-amine
CID 23243058
(2S,3S)-2,3-dimethyl-1,4-dithian-2-amine
CID 23243059
(2R,3R)-2,3-dimethyl-1,4-dithian-2-amine
CID 100927393
2-Propylsulfanylpropan-2-amine
CID 117032549
(2R,3S)-2,3-dimethyl-1,4-dithian-2-amine
CID 131218953
2-Methylthietan-2-amine
CID 164043643

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-1-sulfanylthietan-2-amine?
The IUPAC name of 1,2-dimethyl-1-sulfanylthietan-2-amine (CID 135231058) is 1,2-dimethyl-1-sulfanylthietan-2-amine.
What is the SMILES notation for 1,2-dimethyl-1-sulfanylthietan-2-amine?
The canonical SMILES for 1,2-dimethyl-1-sulfanylthietan-2-amine is CC1(N)CCS1(C)S.
What is the InChIKey of 1,2-dimethyl-1-sulfanylthietan-2-amine?
The InChIKey is JDOXDTXQZULHFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NS2/c1-5(6)3-4-8(5,2)7/h7H,3-4,6H2,1-2H3.
What are the key properties of 1,2-dimethyl-1-sulfanylthietan-2-amine?
1,2-dimethyl-1-sulfanylthietan-2-amine has a molecular weight of 151.30 g/mol, XLogP of 1.34, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-1-sulfanylthietan-2-amine is sourced from PubChem (CID 135231058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).