1-(2-chloroprop-2-enylsulfanyl)-2-methylpropan-2-amine

C7H14ClNS — CID 66229717

IUPAC1-(2-chloroprop-2-enylsulfanyl)-2-methylpropan-2-amine
SMILESC=C(Cl)CSCC(C)(C)N
InChIInChI=1S/C7H14ClNS/c1-6(8)4-10-5-7(2,3)9/h1,4-5,9H2,2-3H3
InChIKeyYFDIRTXEALYTMF-UHFFFAOYSA-N
MW179.72 g/mol
LogP2.21
Rot. Bonds4

About 1-(2-chloroprop-2-enylsulfanyl)-2-methylpropan-2-amine

1-(2-chloroprop-2-enylsulfanyl)-2-methylpropan-2-amine (PubChem CID 66229717) has the molecular formula C7H14ClNS and a molecular weight of 179.72 g/mol. Its IUPAC name is 1-(2-chloroprop-2-enylsulfanyl)-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-(2-chloroprop-2-enylsulfanyl)-2-methylpropan-2-amine
PubChem CID66229717
Molecular FormulaC7H14ClNS
Molecular Weight179.72 g/mol
Exact Mass179.05
IUPAC Name1-(2-chloroprop-2-enylsulfanyl)-2-methylpropan-2-amine
SMILESC=C(Cl)CSCC(C)(C)N
InChIInChI=1S/C7H14ClNS/c1-6(8)4-10-5-7(2,3)9/h1,4-5,9H2,2-3H3
InChIKeyYFDIRTXEALYTMF-UHFFFAOYSA-N
XLogP2.21
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.72
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-amino-2-methylpropyl)sulfanyl-2-methylpropan-2-ol
CID 66229022
2-(2-amino-2-methylpropyl)sulfanyl-N-tert-butylacetamide
CID 66230207
2-(2-amino-2-methylpropyl)sulfanyl-N-prop-2-enylacetamide
CID 66222711
2-(2-amino-2-methylpropyl)sulfanyl-1-(azetidin-1-yl)ethanone
CID 66221215
2-(2-amino-2-methylpropyl)sulfanyl-N-cyclopentylacetamide
CID 66221452
1-(2-amino-2-methylpropyl)sulfanyl-2-methylbutan-2-ol
CID 114494302
2-(2-amino-2-methylpropyl)sulfanyl-N-cyclohexylacetamide
CID 66223801
4-(2-amino-2-methylpropyl)sulfanylbutanoic acid
CID 66228735
1-(2-fluoroethylsulfanyl)-2-methylpropan-2-amine
CID 80696277
2-(2-amino-2-methylpropyl)sulfanyl-N-(2-cyano-3-methylbutan-2-yl)acetamide
CID 66228331
2-(2-amino-2-methylpropyl)sulfanyl-1-morpholin-4-ylethanone
CID 66231125
3-(2-amino-2-methylpropyl)sulfanylpropanamide
CID 66229715

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloroprop-2-enylsulfanyl)-2-methylpropan-2-amine?
The IUPAC name of 1-(2-chloroprop-2-enylsulfanyl)-2-methylpropan-2-amine (CID 66229717) is 1-(2-chloroprop-2-enylsulfanyl)-2-methylpropan-2-amine.
What is the SMILES notation for 1-(2-chloroprop-2-enylsulfanyl)-2-methylpropan-2-amine?
The canonical SMILES for 1-(2-chloroprop-2-enylsulfanyl)-2-methylpropan-2-amine is C=C(Cl)CSCC(C)(C)N.
What is the InChIKey of 1-(2-chloroprop-2-enylsulfanyl)-2-methylpropan-2-amine?
The InChIKey is YFDIRTXEALYTMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14ClNS/c1-6(8)4-10-5-7(2,3)9/h1,4-5,9H2,2-3H3.
What are the key properties of 1-(2-chloroprop-2-enylsulfanyl)-2-methylpropan-2-amine?
1-(2-chloroprop-2-enylsulfanyl)-2-methylpropan-2-amine has a molecular weight of 179.72 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloroprop-2-enylsulfanyl)-2-methylpropan-2-amine is sourced from PubChem (CID 66229717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).