1-tert-butylsulfanyl-N-(2-methylsulfanylethyl)propan-2-amine

C10H23NS2 — CID 115706189

IUPAC1-tert-butylsulfanyl-N-(2-methylsulfanylethyl)propan-2-amine
SMILESCSCCNC(C)CSC(C)(C)C
InChIInChI=1S/C10H23NS2/c1-9(11-6-7-12-5)8-13-10(2,3)4/h9,11H,6-8H2,1-5H3
InChIKeyQQABEQRSFCJGCF-UHFFFAOYSA-N
MW221.43 g/mol
LogP2.86
Rot. Bonds6

About 1-tert-butylsulfanyl-N-(2-methylsulfanylethyl)propan-2-amine

1-tert-butylsulfanyl-N-(2-methylsulfanylethyl)propan-2-amine (PubChem CID 115706189) has the molecular formula C10H23NS2 and a molecular weight of 221.43 g/mol. Its IUPAC name is 1-tert-butylsulfanyl-N-(2-methylsulfanylethyl)propan-2-amine.

Molecular Properties

Compound Name1-tert-butylsulfanyl-N-(2-methylsulfanylethyl)propan-2-amine
PubChem CID115706189
Molecular FormulaC10H23NS2
Molecular Weight221.43 g/mol
Exact Mass221.13
IUPAC Name1-tert-butylsulfanyl-N-(2-methylsulfanylethyl)propan-2-amine
SMILESCSCCNC(C)CSC(C)(C)C
InChIInChI=1S/C10H23NS2/c1-9(11-6-7-12-5)8-13-10(2,3)4/h9,11H,6-8H2,1-5H3
InChIKeyQQABEQRSFCJGCF-UHFFFAOYSA-N
XLogP2.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.43
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-tert-butylsulfanyl-N-(2-ethylsulfonylethyl)propan-2-amine
CID 115716483
N-(1-tert-butylsulfanylpropan-2-yl)hex-5-yn-1-amine
CID 115893719
1-tert-butylsulfanyl-N-(3-methylsulfinylpropyl)propan-2-amine
CID 115720979
1-tert-butylsulfanyl-N-[2-(2-methylprop-2-enoxy)ethyl]propan-2-amine
CID 115894013
N-(2-tert-butylsulfanylethyl)-1-ethylsulfonylpropan-2-amine
CID 115901279
N-(1-tert-butylsulfanylpropan-2-yl)-2-cyclopropylpropan-1-amine
CID 115713891
1-tert-butylsulfanyl-N-[2-(furan-2-yl)ethyl]propan-2-amine
CID 115706553
1-cyclopropyl-N-(2-methylsulfanylethyl)propan-2-amine
CID 115706204
N-(2-tert-butylsulfanylethyl)pentan-3-amine
CID 62576921
N-(1-tert-butylsulfanylpropan-2-yl)-4-methylpentan-2-amine
CID 115895379
1-tert-butylsulfanyl-N-[(3-methyloxetan-3-yl)methyl]propan-2-amine
CID 115719753
N-(1-tert-butylsulfanylpropan-2-yl)-1-ethylsulfanylpropan-2-amine
CID 115725661

Frequently Asked Questions

What is the IUPAC name of 1-tert-butylsulfanyl-N-(2-methylsulfanylethyl)propan-2-amine?
The IUPAC name of 1-tert-butylsulfanyl-N-(2-methylsulfanylethyl)propan-2-amine (CID 115706189) is 1-tert-butylsulfanyl-N-(2-methylsulfanylethyl)propan-2-amine.
What is the SMILES notation for 1-tert-butylsulfanyl-N-(2-methylsulfanylethyl)propan-2-amine?
The canonical SMILES for 1-tert-butylsulfanyl-N-(2-methylsulfanylethyl)propan-2-amine is CSCCNC(C)CSC(C)(C)C.
What is the InChIKey of 1-tert-butylsulfanyl-N-(2-methylsulfanylethyl)propan-2-amine?
The InChIKey is QQABEQRSFCJGCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NS2/c1-9(11-6-7-12-5)8-13-10(2,3)4/h9,11H,6-8H2,1-5H3.
What are the key properties of 1-tert-butylsulfanyl-N-(2-methylsulfanylethyl)propan-2-amine?
1-tert-butylsulfanyl-N-(2-methylsulfanylethyl)propan-2-amine has a molecular weight of 221.43 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylsulfanyl-N-(2-methylsulfanylethyl)propan-2-amine is sourced from PubChem (CID 115706189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).