N-[(1S,5R)-2-bicyclo[3.1.0]hexanyl]-2,2-dimethylthietan-3-amine

C11H19NS — CID 130949352

IUPACN-[(1S,5R)-2-bicyclo[3.1.0]hexanyl]-2,2-dimethylthietan-3-amine
SMILESCC1(C)SCC1NC1CC[C@@H]2C[C@H]12
InChIInChI=1S/C11H19NS/c1-11(2)10(6-13-11)12-9-4-3-7-5-8(7)9/h7-10,12H,3-6H2,1-2H3/t7-,8+,9?,10?/m1/s1
InChIKeySZEPNMNNXXDPDJ-XHHQTKHESA-N
MW197.35 g/mol
LogP2.27
Rot. Bonds2

About N-[(1S,5R)-2-bicyclo[3.1.0]hexanyl]-2,2-dimethylthietan-3-amine

N-[(1S,5R)-2-bicyclo[3.1.0]hexanyl]-2,2-dimethylthietan-3-amine (PubChem CID 130949352) has the molecular formula C11H19NS and a molecular weight of 197.35 g/mol. Its IUPAC name is N-[(1S,5R)-2-bicyclo[3.1.0]hexanyl]-2,2-dimethylthietan-3-amine.

Molecular Properties

Compound NameN-[(1S,5R)-2-bicyclo[3.1.0]hexanyl]-2,2-dimethylthietan-3-amine
PubChem CID130949352
Molecular FormulaC11H19NS
Molecular Weight197.35 g/mol
Exact Mass197.12
IUPAC NameN-[(1S,5R)-2-bicyclo[3.1.0]hexanyl]-2,2-dimethylthietan-3-amine
SMILESCC1(C)SCC1NC1CC[C@@H]2C[C@H]12
InChIInChI=1S/C11H19NS/c1-11(2)10(6-13-11)12-9-4-3-7-5-8(7)9/h7-10,12H,3-6H2,1-2H3/t7-,8+,9?,10?/m1/s1
InChIKeySZEPNMNNXXDPDJ-XHHQTKHESA-N
XLogP2.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.35
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,2,3,3-tetramethylcyclopropyl)bicyclo[3.1.0]hexan-2-amine
CID 130525471
trans-(1R,2R)-2-[(2,2-dimethylthietan-3-yl)amino]cyclopentan-1-ol
CID 122237200
N-(2,3-dimethylcyclobutyl)bicyclo[3.1.0]hexan-2-amine
CID 130659290
N-(3-methylcyclobutyl)bicyclo[3.1.0]hexan-2-amine
CID 130500238
N-(2-bicyclo[3.1.0]hexanyl)oxan-4-amine
CID 130496499
(1S,5R)-N-(3,3-difluorocyclopentyl)bicyclo[3.1.0]hexan-2-amine
CID 130671784
(1R,6S)-N-(2-cyclopropylcyclopropyl)bicyclo[4.1.0]heptan-2-amine
CID 131142277
(2S)-N-(2,2-dimethylthietan-3-yl)-2-hydroxypropanamide
CID 130639197
3-(2-bicyclo[3.1.0]hexanylamino)-1-methylpyrrolidin-2-one
CID 130500214
N-(1-cyclopropylethyl)bicyclo[3.1.0]hexan-2-amine
CID 130496523
2-(2-bicyclo[3.1.0]hexanylamino)cyclopentane-1-carbonitrile
CID 130525427
trans-(1S,2S)-N-(2,2-dimethylthietan-3-yl)-2-methylcyclopropane-1-carboxamide
CID 127004064

Frequently Asked Questions

What is the IUPAC name of N-[(1S,5R)-2-bicyclo[3.1.0]hexanyl]-2,2-dimethylthietan-3-amine?
The IUPAC name of N-[(1S,5R)-2-bicyclo[3.1.0]hexanyl]-2,2-dimethylthietan-3-amine (CID 130949352) is N-[(1S,5R)-2-bicyclo[3.1.0]hexanyl]-2,2-dimethylthietan-3-amine.
What is the SMILES notation for N-[(1S,5R)-2-bicyclo[3.1.0]hexanyl]-2,2-dimethylthietan-3-amine?
The canonical SMILES for N-[(1S,5R)-2-bicyclo[3.1.0]hexanyl]-2,2-dimethylthietan-3-amine is CC1(C)SCC1NC1CC[C@@H]2C[C@H]12.
What is the InChIKey of N-[(1S,5R)-2-bicyclo[3.1.0]hexanyl]-2,2-dimethylthietan-3-amine?
The InChIKey is SZEPNMNNXXDPDJ-XHHQTKHESA-N. The full InChI is InChI=1S/C11H19NS/c1-11(2)10(6-13-11)12-9-4-3-7-5-8(7)9/h7-10,12H,3-6H2,1-2H3/t7-,8+,9?,10?/m1/s1.
What are the key properties of N-[(1S,5R)-2-bicyclo[3.1.0]hexanyl]-2,2-dimethylthietan-3-amine?
N-[(1S,5R)-2-bicyclo[3.1.0]hexanyl]-2,2-dimethylthietan-3-amine has a molecular weight of 197.35 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,5R)-2-bicyclo[3.1.0]hexanyl]-2,2-dimethylthietan-3-amine is sourced from PubChem (CID 130949352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).