N,N-bis[1-(1-tert-butylsulfanylethyl)cyclopropyl]hydroxylamine

C18H35NOS2 — CID 163917566

IUPACN,N-bis[1-(1-tert-butylsulfanylethyl)cyclopropyl]hydroxylamine
SMILESCC(SC(C)(C)C)C1(N(O)C2(C(C)SC(C)(C)C)CC2)CC1
InChIInChI=1S/C18H35NOS2/c1-13(21-15(3,4)5)17(9-10-17)19(20)18(11-12-18)14(2)22-16(6,7)8/h13-14,20H,9-12H2,1-8H3
InChIKeyQXOVPPDUQQKOBU-UHFFFAOYSA-N
MW345.62 g/mol
LogP5.58
Rot. Bonds6

About N,N-bis[1-(1-tert-butylsulfanylethyl)cyclopropyl]hydroxylamine

N,N-bis[1-(1-tert-butylsulfanylethyl)cyclopropyl]hydroxylamine (PubChem CID 163917566) has the molecular formula C18H35NOS2 and a molecular weight of 345.62 g/mol. Its IUPAC name is N,N-bis[1-(1-tert-butylsulfanylethyl)cyclopropyl]hydroxylamine.

Molecular Properties

Compound NameN,N-bis[1-(1-tert-butylsulfanylethyl)cyclopropyl]hydroxylamine
PubChem CID163917566
Molecular FormulaC18H35NOS2
Molecular Weight345.62 g/mol
Exact Mass345.22
IUPAC NameN,N-bis[1-(1-tert-butylsulfanylethyl)cyclopropyl]hydroxylamine
SMILESCC(SC(C)(C)C)C1(N(O)C2(C(C)SC(C)(C)C)CC2)CC1
InChIInChI=1S/C18H35NOS2/c1-13(21-15(3,4)5)17(9-10-17)19(20)18(11-12-18)14(2)22-16(6,7)8/h13-14,20H,9-12H2,1-8H3
InChIKeyQXOVPPDUQQKOBU-UHFFFAOYSA-N
XLogP5.58
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.62
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-tert-butylsulfanyl-3-methylbutanoic acid
CID 19381276
3-bromo-4-tert-butylsulfanyl-2-methylpent-2-ene
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2-tert-butylsulfanyl-N-[2-(dimethylamino)ethyl]propanamide
CID 176618081
(2R)-2-tert-butylsulfanylpropan-1-ol
CID 54434626
N,N-dihydroxy-1-propan-2-ylcyclohexan-1-amine
CID 141367738
2-(3-methylbutan-2-ylsulfanyl)propan-2-ol
CID 174325036
cyclobutane;cyclopentane;cyclopropane;bis(2,2-dimethylpropane);2-methylpropane
CID 157236678
2-tert-butylsulfanylpropanal
CID 11137307
1-(1-tert-butylsulfanylprop-2-enyl)cyclopent-2-en-1-ol
CID 12715918
2-(1-hydroxy-2-propan-2-ylsulfanylpropan-2-yl)sulfanyl-2-propan-2-ylsulfanylpropan-1-ol
CID 54198001
1-tert-butyl-1-methylcyclopropane;2,2,3-trimethylbutan-1-ol
CID 158894957
2-methyl-3-methylsulfanylbutan-2-ol
CID 15164380

Frequently Asked Questions

What is the IUPAC name of N,N-bis[1-(1-tert-butylsulfanylethyl)cyclopropyl]hydroxylamine?
The IUPAC name of N,N-bis[1-(1-tert-butylsulfanylethyl)cyclopropyl]hydroxylamine (CID 163917566) is N,N-bis[1-(1-tert-butylsulfanylethyl)cyclopropyl]hydroxylamine.
What is the SMILES notation for N,N-bis[1-(1-tert-butylsulfanylethyl)cyclopropyl]hydroxylamine?
The canonical SMILES for N,N-bis[1-(1-tert-butylsulfanylethyl)cyclopropyl]hydroxylamine is CC(SC(C)(C)C)C1(N(O)C2(C(C)SC(C)(C)C)CC2)CC1.
What is the InChIKey of N,N-bis[1-(1-tert-butylsulfanylethyl)cyclopropyl]hydroxylamine?
The InChIKey is QXOVPPDUQQKOBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NOS2/c1-13(21-15(3,4)5)17(9-10-17)19(20)18(11-12-18)14(2)22-16(6,7)8/h13-14,20H,9-12H2,1-8H3.
What are the key properties of N,N-bis[1-(1-tert-butylsulfanylethyl)cyclopropyl]hydroxylamine?
N,N-bis[1-(1-tert-butylsulfanylethyl)cyclopropyl]hydroxylamine has a molecular weight of 345.62 g/mol, XLogP of 5.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[1-(1-tert-butylsulfanylethyl)cyclopropyl]hydroxylamine is sourced from PubChem (CID 163917566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).