N-[(1R,2R)-2-methylcyclopropyl]thiolan-3-amine

C8H15NS — CID 131110851

IUPACN-[(1R,2R)-2-methylcyclopropyl]thiolan-3-amine
SMILESC[C@@H]1C[C@H]1NC1CCSC1
InChIInChI=1S/C8H15NS/c1-6-4-8(6)9-7-2-3-10-5-7/h6-9H,2-5H2,1H3/t6-,7?,8-/m1/s1
InChIKeyGJZPAFWOBIJEGA-OECOWPMFSA-N
MW157.28 g/mol
LogP1.49
Rot. Bonds2

About N-[(1R,2R)-2-methylcyclopropyl]thiolan-3-amine

N-[(1R,2R)-2-methylcyclopropyl]thiolan-3-amine (PubChem CID 131110851) has the molecular formula C8H15NS and a molecular weight of 157.28 g/mol. Its IUPAC name is N-[(1R,2R)-2-methylcyclopropyl]thiolan-3-amine.

Molecular Properties

Compound NameN-[(1R,2R)-2-methylcyclopropyl]thiolan-3-amine
PubChem CID131110851
Molecular FormulaC8H15NS
Molecular Weight157.28 g/mol
Exact Mass157.09
IUPAC NameN-[(1R,2R)-2-methylcyclopropyl]thiolan-3-amine
SMILESC[C@@H]1C[C@H]1NC1CCSC1
InChIInChI=1S/C8H15NS/c1-6-4-8(6)9-7-2-3-10-5-7/h6-9H,2-5H2,1H3/t6-,7?,8-/m1/s1
InChIKeyGJZPAFWOBIJEGA-OECOWPMFSA-N
XLogP1.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.28
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-N-[1-(trifluoromethyl)cyclopropyl]thiolan-3-amine
CID 106209942
1,1-difluoro-N-(thiolan-3-ylmethyl)propan-2-amine
CID 107295327
4-methyl-N-[1-(trifluoromethyl)cyclopropyl]thiolan-3-amine
CID 130519956
N-[(1S,2S)-2-(difluoromethyl)cyclopropyl]thiolan-3-amine
CID 130608477
n-[(2,2-Difluorocyclopropyl)methyl]-5-methylthiolan-3-amine
CID 164659797
[(3-Thienyl)methyl]propylamine
CID 64164879
N-butylthiolan-3-amine
CID 20436219
N-propylthiolan-3-amine
CID 21709926
N-ethylthiolan-3-amine
CID 24700762
N-[3-(Methylthio)propyl]cyclopropanemethanamine
CID 28611308
N-Isopropyltetrahydrothiophen-3-amine
CID 43177202
N-butan-2-ylthiolan-3-amine
CID 43177308

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-methylcyclopropyl]thiolan-3-amine?
The IUPAC name of N-[(1R,2R)-2-methylcyclopropyl]thiolan-3-amine (CID 131110851) is N-[(1R,2R)-2-methylcyclopropyl]thiolan-3-amine.
What is the SMILES notation for N-[(1R,2R)-2-methylcyclopropyl]thiolan-3-amine?
The canonical SMILES for N-[(1R,2R)-2-methylcyclopropyl]thiolan-3-amine is C[C@@H]1C[C@H]1NC1CCSC1.
What is the InChIKey of N-[(1R,2R)-2-methylcyclopropyl]thiolan-3-amine?
The InChIKey is GJZPAFWOBIJEGA-OECOWPMFSA-N. The full InChI is InChI=1S/C8H15NS/c1-6-4-8(6)9-7-2-3-10-5-7/h6-9H,2-5H2,1H3/t6-,7?,8-/m1/s1.
What are the key properties of N-[(1R,2R)-2-methylcyclopropyl]thiolan-3-amine?
N-[(1R,2R)-2-methylcyclopropyl]thiolan-3-amine has a molecular weight of 157.28 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-methylcyclopropyl]thiolan-3-amine is sourced from PubChem (CID 131110851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).